52299-74-8
5-HYDROXY-2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER
Name5-HYDROXY-2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
5-HYDROXY-2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD18970137
【English Synonyms】
【Formula】
C8 H11 N O3
【MolWeight】
169.179
【Inchi】
InChI=1S/C8H11NO3/c1-3-12-8(11)6-4-7(10)9-5(6)2/h4,9-10H,3H2,1-2H3
【InChIKey】
InChIKey=UROVJFQDJBKYAZ-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cc([nH]c1C)O
【MOL File】
5-HYDROXY-2-METHYL-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-HYDROXY-2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER.cml